CID 167717810

2-bromo-1-(3,3-dimethylcyclohexyl)ethan-1-one

Structural Information

Molecular Formula
C10H17BrO
SMILES
CC1(CCCC(C1)C(=O)CBr)C
InChI
InChI=1S/C10H17BrO/c1-10(2)5-3-4-8(6-10)9(12)7-11/h8H,3-7H2,1-2H3
InChIKey
BRJJBOFXSUCINY-UHFFFAOYSA-N
Compound name
2-bromo-1-(3,3-dimethylcyclohexyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.04628 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05356 145.9
[M+Na]+ 255.03550 154.9
[M-H]- 231.03900 151.5
[M+NH4]+ 250.08010 169.2
[M+K]+ 271.00944 144.9
[M+H-H2O]+ 215.04354 147.2
[M+HCOO]- 277.04448 162.9
[M+CH3COO]- 291.06013 188.3
[M+Na-2H]- 253.02095 150.9
[M]+ 232.04573 161.5
[M]- 232.04683 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.